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canSAR1153424
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NAMES
    SMILES
    COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)nc(-c5ccco5)nc43)[C@H](O)[C@@H]1O)C(=O)OC2
    InChI
    InChI=1S/C27H31N5O14P2/c1-12-14-8-43-27(36)17(14)19(33)13(22(12)41-2)5-7-44-47(37,38)11-48(39,40)45-9-16-20(34)21(35)26(46-16)32-10-29-18-23(28)30-24(31-25(18)32)15-4-3-6-42-15/h3-4,6,10,16,20-21,26,33-35H,5,7-9,11H2,1-2H3,(H,37,38)(H,39,40)(H2,28,30,31)/t16-,20-,21-,26-/m1/s1
    MOLECULAR FORMULA
    C27H31N5O14P2
    CROSS REFERENCES
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    canSAR1153424

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 711.13
    AlogP 1.58
    HBond donors 7
    HBond acceptors 19
    Atoms 79
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1153424.